3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide

C19H22ClNO3 — CID 109478503

IUPAC3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cccc(C(O)CNC(=O)C(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClNO3/c1-13(9-14-5-3-7-16(20)10-14)19(23)21-12-18(22)15-6-4-8-17(11-15)24-2/h3-8,10-11,13,18,22H,9,12H2,1-2H3,(H,21,23)
InChIKeyYDWRUPBZOHLHPF-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.38
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide

3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 109478503) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID109478503
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cccc(C(O)CNC(=O)C(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClNO3/c1-13(9-14-5-3-7-16(20)10-14)19(23)21-12-18(22)15-6-4-8-17(11-15)24-2/h3-8,10-11,13,18,22H,9,12H2,1-2H3,(H,21,23)
InChIKeyYDWRUPBZOHLHPF-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111115447
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
2-[ethyl(methyl)amino]-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111115516
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
2-(azepan-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111477458
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide (CID 109478503) is 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide is COc1cccc(C(O)CNC(=O)C(C)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is YDWRUPBZOHLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(9-14-5-3-7-16(20)10-14)19(23)21-12-18(22)15-6-4-8-17(11-15)24-2/h3-8,10-11,13,18,22H,9,12H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 347.84 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 109478503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).